3-butyl-7-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-butyl-7-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-1-benzothiophene-2-carboxylic acid Openeye Name: 3-butyl-7-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]benzothiophene-2-carboxylic acid CAS Name: 3-butyl-7-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methylamino]-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-butyl-7-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-1-benzothiophene-2-carboxylic acid Traditional Name: 3-butyl-7-[[3-(4-cyanobenzyl)imidazol-4-yl]methylamino]benzothiophene-2-carboxylic acid Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(SC2=C1C=CC=C2NCC3=CN=CN3CC4=CC=C(C=C4)C#N)C(=O)O

Isomeric SMILES

CCCCC1=C(SC2=C1C=CC=C2NCC3=CN=CN3CC4=CC=C(C=C4)C#N)C(=O)O

InChI

InChI=1S/C25H24N4O2S/c1-2-3-5-21-20-6-4-7-22(23(20)32-24(21)25(30)31)28-14-19-13-27-16-29(19)15-18-10-8-17(12-26)9-11-18/h4,6-11,13,16,28H,2-3,5,14-15H2,1H3,(H,30,31)